Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9603075

Cl.Fc1ccc(C(CCCN2CCN(c3ncccn3)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.64
SLC6A4 known ✓ P31645 1/20 0.64
SLC6A3 known ✓ Q01959 1/20 0.64
DRD2 known ✓ P14416 7/20 0.63
DRD3 known ✓ P35462 6/20 0.63
HTR1A known ✓ P08908 4/20 0.63
HTR2A known ✓ P28223 4/20 0.63
DRD1 known ✓ P21728 3/20 0.63
SIGMAR1 known ✓ Q99720 4/20 0.62
GAA known ✓ P10253 1/20 0.62
ADRA2C known ✓ P18825 1/20 0.58
DRD4 known ✓ P21917 1/20 0.58
HTR2C known ✓ P28335 1/20 0.58
HRH1 known ✓ P35367 1/20 0.58
DRD5 P21918 2/20 0.63
KDM4E B2RXH2 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5023694 0.94 DRD2 (0.65) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL9602967 0.88 SIGMAR1 (0.79) DRD2SIGMAR1KDM4ECYP1A2GAA
Hydrochloric Acid SCHEMBL9603058 0.86 DRD2 (0.79) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL9601882 0.82 SIGMAR1 (0.56) SLC6A3DRD2DRD3HTR1AHTR2A
SCHEMBL9601362 0.81 DRD2 (0.74) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL9601079 0.80 HSD11B1 (0.57) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL4752716 0.80 DRD3 (0.57) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL9602079 0.79 SLC6A9 (0.55) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL7794415 0.79 DRD3 (0.53) SLC6A2SLC6A4SLC6A3DRD2DRD3
Hydrochloric Acid SCHEMBL9602476 0.79 DRD3 (0.51) SLC6A2SLC6A4SLC6A3DRD2DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308476-B1 BISPHENYLALKYLPIPERAZINE DERIVATIVES, A METHOD OF THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION Kabi Pharmacia AB (SE) 1993-02-03 EP disclosed
US-4937245-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS FEX TOMAS (SE) 1990-06-26 US disclosed